N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine

C17H30N2 — CID 88957767

IUPACN-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(NC1CCNCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-13(2)7-8-16(17(4,5)6)14(3)19-15-9-11-18-12-10-15/h7-8,15,18-19H,3,9-12H2,1-2,4-6H3/b16-8+
InChIKeyHLAZAOUGNZKBDF-LZYBPNLTSA-N
MW262.44 g/mol
LogP3.78
Rot. Bonds4

About N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine

N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine (PubChem CID 88957767) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine
PubChem CID88957767
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine
SMILESC=C(NC1CCNCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-13(2)7-8-16(17(4,5)6)14(3)19-15-9-11-18-12-10-15/h7-8,15,18-19H,3,9-12H2,1-2,4-6H3/b16-8+
InChIKeyHLAZAOUGNZKBDF-LZYBPNLTSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine?
The IUPAC name of N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine (CID 88957767) is N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine.
What is the SMILES notation for N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine?
The canonical SMILES for N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine is C=C(NC1CCNCC1)/C(=C\C=C(C)C)C(C)(C)C.
What is the InChIKey of N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine?
The InChIKey is HLAZAOUGNZKBDF-LZYBPNLTSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)7-8-16(17(4,5)6)14(3)19-15-9-11-18-12-10-15/h7-8,15,18-19H,3,9-12H2,1-2,4-6H3/b16-8+.
What are the key properties of N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine?
N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-tert-butyl-6-methylhepta-1,3,5-trien-2-yl]piperidin-4-amine is sourced from PubChem (CID 88957767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).